Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.5453    0.7251   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -0.3699   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -0.5646   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -1.2256   -1.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937   -0.0074    0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -0.1827    0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6943    1.4116   -1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7359    0.3000   -2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4209    1.2672   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691   -0.0580    0.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -1.3405   -0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597    0.5494    1.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8168   -0.7343   -0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0117    0.2296    1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers